4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenyl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenyl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-butylbenzofuran-3-carbonyl)phenyl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenyl]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(2-butyl-1-benzofuran-3-carbonyl)phenyl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(2-butylbenzofuran-3-carbonyl)phenyl]sulfonyl-2-hydroxy-benzoic acid Formula: C26H22O7S MolecularWeight: 478.51368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C26H22O7S/c1-2-3-7-23-24(20-6-4-5-8-22(20)33-23)25(28)16-9-11-17(12-10-16)34(31,32)18-13-14-19(26(29)30)21(27)15-18/h4-6,8-15,27H,2-3,7H2,1H3,(H,29,30)